[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone

C18H15ClN2O2 — CID 42782415

IUPAC[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCn2cccc2C1c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c19-14-5-1-4-13(12-14)17-15-6-2-8-20(15)9-10-21(17)18(22)16-7-3-11-23-16/h1-8,11-12,17H,9-10H2
InChIKeyZOKZKMWKNAGVRM-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.98
Rot. Bonds2

About [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone

[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone (PubChem CID 42782415) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone
PubChem CID42782415
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCn2cccc2C1c1cccc(Cl)c1
InChIInChI=1S/C18H15ClN2O2/c19-14-5-1-4-13(12-14)17-15-6-2-8-20(15)9-10-21(17)18(22)16-7-3-11-23-16/h1-8,11-12,17H,9-10H2
InChIKeyZOKZKMWKNAGVRM-UHFFFAOYSA-N
XLogP3.98
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115137
1-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(propan-2-ylamino)ethanone
CID 42782369
4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide
CID 46136058
1-[2-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-cyclopropyl-3,3-dimethylurea
CID 42812982
N-(3-chlorophenyl)-1-(furan-2-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 43948757
methyl N-[2-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-(2-methylpropyl)carbamate
CID 42812978
(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698
(5-nitrofuran-2-yl)-[(1R)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 94045543
[2-(2,4-dichlorophenyl)-1,3-thiazolidin-3-yl]-(furan-2-yl)methanone
CID 5152837
(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 93115169
[(1R)-1-(3,4-dichlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-fluorophenyl)methanone
CID 93304342
3-tert-butyl-1-[2-[(1R)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1-(2-methylpropyl)urea
CID 93304920

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone (CID 42782415) is [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCn2cccc2C1c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone?
The InChIKey is ZOKZKMWKNAGVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-5-1-4-13(12-14)17-15-6-2-8-20(15)9-10-21(17)18(22)16-7-3-11-23-16/h1-8,11-12,17H,9-10H2.
What are the key properties of [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone?
[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone has a molecular weight of 326.78 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 42782415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).